MassBank Record: WA000331

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Zopiclone; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
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ACCESSION: WA000331
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zopiclone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H17ClN6O3
CH$EXACT_MASS: 388.10507000000001198714016936719417572021484375
CH$SMILES: CN(C4)CCN(C4)C(=O)OC(c21)N(c(c3)ncc(Cl)c3)C(=O)c(nccn2)1
CH$IUPAC: InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
CH$LINK: CAS 43200-80-2
CH$LINK: COMPTOX DTXSID4041155
CH$LINK: INCHIKEY GBBSUAFBMRNDJC-UHFFFAOYSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 11.510 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014j-0390000000-bd81eaef036e9d869ee1
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  112 78 78
  114 24 24
  130 176 176
  132 59 59
  139 196 196
  140 8 8
  141 63 63
  143 12 12
  153 20 20
  155 8 8
  157 35 35
  159 16 16
  180 12 12
  181 24 24
  182 20 20
  190 39 39
  192 12 12
  217 999 999
  218 78 78
  219 329 329
  220 35 35
  245 501 501
  246 35 35
  247 188 188
  248 20 20
  263 27 27
  265 12 12
  345 12 12
  367 12 12
  411 82 82
  412 8 8
  413 31 31
  427 16 16
  429 8 8
//